RDKit

C++ 2BSD-2-Clause 5 0 0 Updated Aug 13, 2026

rdkit Public

The official sources for the RDKit library

HTML 3,550BSD-3-Clause 1,038 28 48 Updated Aug 13, 2026

A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .

Dockerfile 244BSD-3-Clause 47 27 5 Updated Aug 3, 2026

Repository for the 2026 RDKit UGM

12 0 2 0 Updated Jul 18, 2026

mmpdb Public

A package to identify matched molecular pairs and use them to predict property changes.

Python 294 68 18 1 Updated Jun 3, 2026

Python 0Apache-2.0 3 0 1 Updated Mar 16, 2026

Python 55BSD-3-Clause 29 8 1 Updated Dec 12, 2025

The RDKit nodes for the KNIME Analytics Platform

Java 27 19 24 1 Updated Nov 6, 2025

2025 RDKit UGM

Jupyter Notebook 30 2 0 0 Updated Oct 27, 2025

KNIME nodes for working with lwreg

Python 4MIT 6 0 0 Updated Oct 24, 2025

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